Molecule

ID:119380

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O₂
Molecular Mass
168.19308
Exact Mass
168.08987763
Charge
0
InChI
InChI=1S/C8H12N2O2/c11-7-3-1-5(9-7)6-2-4-8(12)10-6/h5-6H,1-4H2,(H,9,11)(H,10,12)/t5-,6+
InChIKey
IQUVNPFDKLVJAN-OLQVQODUSA-N
Canonic Smiles
O=C1CC[C@@H](N1)[C@@H]1CCC(=O)N1
Isomeric Smiles
N1C(=O)CC[C@H]1[C@@H]1NC(=O)CC1
Calculated Properties
JChem
Acid pKa
13.953244
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2112099
LogD (pH = 7.4)
-1.2112095
Log P
-1.2112094
Molar Refractivity
41.8872
Polarizability
16.48656
Polar Surface Area
58.2
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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